SCHEMBL21144866

SCHEMBL21144866

C[C@@H]1CN(C)CCN1CC[C@@H](Cc1ccc(C#N)cc1)NC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 2/20 0.39
SLC1A3 P43003 1/20 0.39
CHRM1 P11229 1/20 0.38
ACACB O00763 2/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
CCR5 P51681 2/20 0.37
KCNH2 Q12809 1/20 0.37
DPP4 P27487 2/20 0.37
FAP Q12884 2/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
DPP7 Q9UHL4 2/20 0.37
SLC6A3 Q01959 1/20 0.36
EP300 Q09472 1/20 0.36
CTSC P53634 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
CACNA1B Q00975 1/20 0.36
FPR1 P21462 2/20 0.36
FPR2 P25090 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21144867 1.00 SLC1A2 (0.39) SLC1A2SLC1A3CHRM1ACACBGPBAR1
SCHEMBL21144654 1.00 SLC1A2 (0.39) SLC1A2SLC1A3CHRM1ACACBGPBAR1
SCHEMBL21144653 1.00 SLC1A2 (0.39) SLC1A2SLC1A3CHRM1ACACBGPBAR1
SCHEMBL18930526 0.86 CACNA1B (0.41) ACACBHRH3CACNA1B
SCHEMBL21676604 0.86 CACNA1B (0.41) ACACBHRH3CACNA1B
SCHEMBL21169944 0.86 CACNA1B (0.41) ACACBHRH3CACNA1B
SCHEMBL21144688 0.83 KCNH2 (0.46) SLC1A2SLC1A3ACACBGPBAR1CCR5
SCHEMBL21144685 0.83 KCNH2 (0.46) SLC1A2SLC1A3ACACBGPBAR1CCR5
SCHEMBL21169904 0.80 DPP4 (0.41) CCR5KCNH2DPP4FAPDPP8
SCHEMBL21676637 0.80 DPP4 (0.41) CCR5KCNH2DPP4FAPDPP8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-19 US disclosed
EP-3383865-B1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 Bayer Pharma AG (DE) 2020-01-29 EP disclosed
US-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-07-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 ATAD2, ATAD2B, TAF1L SLC1A2 3451/4885SLC1A3 3434/4885CHRM1 4746/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L SLC1A2 3451/4885SLC1A3 3434/4885CHRM1 4746/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.